1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea

C18H20N2O2 — CID 60576890

IUPAC1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-2-13-22-17-10-6-9-16(14-17)20-18(21)19-12-11-15-7-4-3-5-8-15/h2-10,14H,1,11-13H2,(H2,19,20,21)
InChIKeyAYVOWVFZSCTULS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.62
Rot. Bonds7

About 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea

1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea (PubChem CID 60576890) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
PubChem CID60576890
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-2-13-22-17-10-6-9-16(14-17)20-18(21)19-12-11-15-7-4-3-5-8-15/h2-10,14H,1,11-13H2,(H2,19,20,21)
InChIKeyAYVOWVFZSCTULS-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826305
4-[(3-prop-2-enoxyphenyl)carbamoylamino]butanoic acid
CID 122077767
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
CID 60577328
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-[3-(cyanomethoxy)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51116764
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
2-[3-(2-prop-2-enylsulfanylethylcarbamoylamino)phenoxy]acetic acid
CID 106430641
1-[3-(4-methylphenyl)propyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100612400
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea?
The IUPAC name of 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea (CID 60576890) is 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea?
The canonical SMILES for 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea is C=CCOc1cccc(NC(=O)NCCc2ccccc2)c1.
What is the InChIKey of 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea?
The InChIKey is AYVOWVFZSCTULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-13-22-17-10-6-9-16(14-17)20-18(21)19-12-11-15-7-4-3-5-8-15/h2-10,14H,1,11-13H2,(H2,19,20,21).
What are the key properties of 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea?
1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea has a molecular weight of 296.37 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea is sourced from PubChem (CID 60576890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).